CID 3065353

Succinamic acid, n-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, allyl ester

Structural Information

Molecular Formula
C12H17N3O3S
SMILES
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)OCC=C
InChI
InChI=1S/C12H17N3O3S/c1-4-7-18-10(17)6-5-9(16)13-12-15-14-11(19-12)8(2)3/h4,8H,1,5-7H2,2-3H3,(H,13,15,16)
InChIKey
VYQCWKBYLAWTAF-UHFFFAOYSA-N
Compound name
prop-2-enyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.09906 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10634 167.0
[M+Na]+ 306.08828 173.9
[M+NH4]+ 301.13288 171.5
[M+K]+ 322.06222 170.2
[M-H]- 282.09178 165.1
[M+Na-2H]- 304.07373 168.0
[M]+ 283.09851 167.3
[M]- 283.09961 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.